4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide

C17H29N3O — CID 80542537

IUPAC4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
SMILESCCN(CC)Cc1ccc(CNC(=O)C(C)CCN)cc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)13-16-8-6-15(7-9-16)12-19-17(21)14(3)10-11-18/h6-9,14H,4-5,10-13,18H2,1-3H3,(H,19,21)
InChIKeyABNMUPJSWPQDLZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.13
Rot. Bonds9

About 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide

4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide (PubChem CID 80542537) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
PubChem CID80542537
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
SMILESCCN(CC)Cc1ccc(CNC(=O)C(C)CCN)cc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)13-16-8-6-15(7-9-16)12-19-17(21)14(3)10-11-18/h6-9,14H,4-5,10-13,18H2,1-3H3,(H,19,21)
InChIKeyABNMUPJSWPQDLZ-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
CID 80542266
2-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-methylbutanamide;dihydrochloride
CID 119835831
4-amino-2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 80543738
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutanamide
CID 80545171
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 80542148
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 75865074
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide (CID 80542537) is 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide is CCN(CC)Cc1ccc(CNC(=O)C(C)CCN)cc1.
What is the InChIKey of 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide?
The InChIKey is ABNMUPJSWPQDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-20(5-2)13-16-8-6-15(7-9-16)12-19-17(21)14(3)10-11-18/h6-9,14H,4-5,10-13,18H2,1-3H3,(H,19,21).
What are the key properties of 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide?
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide has a molecular weight of 291.44 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide is sourced from PubChem (CID 80542537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).